CPA for strongly correlated systems: Electronic structure and magnetic properties of NiO-ZnO solid solutions

preprint2014arXivOpen access

Abstract

The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value with concentration xx in strongly correlated Ni1−x_{1-x}Znx_xO solid solutions is investigated in the frame of this method. The obtained values of energy gap and magnetic moment are in agreement with the available experimental data.

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